HCID21973580

methyl 4-[N-Boc-N-(pyridin-2-ylmethyl)aminomethyl]benzoate

methyl 4-[[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-2-ylmethyl)amino]methyl]benzoate

C20H24N2O4356.4 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(CN(Cc2ccccn2)C(=O)OC(C)(C)C)cc1
InChIKey: AABOILZFZXPCKG-UHFFFAOYSA-N
分子式: C20H24N2O4
平均分子量: 356.4 g/mol
单同位素质量: 356.17360725

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 68.7 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 8
重原子: 26
形式电荷: 0
复杂度: 467

ALIASES

名称与别名

共 5 条

SCHEMBL4939432AABOILZFZXPCKG-UHFFFAOYSA-NMethyl 4-(N-Boc-N-2-picolylaminomethyl)benzoatemethyl 4-[N-Boc-N-(pyridin-2-ylmethyl)aminomethyl]benzoatemethyl 4-{[{[t-butyloxy]carbonyl}(2-pyridinylmethyl)amino]methyl}benzoate

REACTIONS

参与反应

2 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098215B2

查看

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看